logs in console, caching in getAgentProps, console createAgent independent of GUI

2025-12-06 18:53:23 +00:00
parent 1143c52c11
commit c1d0a16cf3
26 changed files with 18025 additions and 100 deletions
@@ -0,0 +1,70 @@
+import { PDBLoader } from 'three/examples/jsm/loaders/PDBLoader.js'
+
+async function loadMolecule(url) {
+  const loader = new PDBLoader()
+
+  return new Promise((resolve, reject) => {
+    loader.load(
+      url,
+      pdb => {
+        // pdb contient:
+        // pdb.geometryAtoms : BufferGeometry des atomes
+        // pdb.geometryBonds : BufferGeometry des liaisons
+        // pdb.json : infos (numéro atomique, couleurs…)
+
+        const group = new THREE.Group()
+
+        // --- Atomes ---
+        const atomsGeo = pdb.geometryAtoms
+        const atomsInfo = pdb.json.atoms
+
+        for (let i = 0; i < atomsInfo.length; i++) {
+          const atom = atomsInfo[i]
+
+          const position = new THREE.Vector3(
+            atomsGeo.attributes.position.getX(i),
+            atomsGeo.attributes.position.getY(i),
+            atomsGeo.attributes.position.getZ(i)
+          )
+
+          const color = new THREE.Color(atom.color)
+          const radius = atom.radius
+
+          const sphere = new THREE.Mesh(
+            new THREE.SphereGeometry(radius, 32, 16),
+            new THREE.MeshPhongMaterial({ color })
+          )
+
+          sphere.position.copy(position)
+          group.add(sphere)
+        }
+
+        // --- Liaisons ---
+        const bondsGeo = pdb.geometryBonds
+
+        for (let i = 0; i < bondsGeo.attributes.position.count; i += 2) {
+          const start = new THREE.Vector3().fromBufferAttribute(bondsGeo.attributes.position, i)
+          const end   = new THREE.Vector3().fromBufferAttribute(bondsGeo.attributes.position, i + 1)
+
+          const bondLength = start.distanceTo(end)
+
+          const cyl = new THREE.Mesh(
+            new THREE.CylinderGeometry(0.1, 0.1, bondLength, 16),
+            new THREE.MeshPhongMaterial({ color: 0xffffff })
+          )
+
+          // Orienter et positionner le cylindre
+          cyl.position.copy(start).lerp(end, 0.5)
+          cyl.lookAt(end)
+          cyl.rotateX(Math.PI / 2)
+
+          group.add(cyl)
+        }
+
+        resolve(group)
+      },
+      undefined,
+      reject
+    )
+  })
+}